SCHEMBL22013597

SCHEMBL22013597

CN(C)C(c1ccc(S(N)(=O)=O)cc1)C(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CA2 P00918 17/20 0.47
CA1 P00915 13/20 0.47
CA12 O43570 12/20 0.47
CA9 Q16790 13/20 0.44
CA5A P35218 6/20 0.44
CA7 P43166 6/20 0.44
CA5B Q9Y2D0 6/20 0.44
CA6 P23280 3/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CA14 Q9ULX7 3/20 0.41
CA13 Q8N1Q1 2/20 0.41
USP2 O75604 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22013599 0.86 KAT2B (0.36) ALDH1A1CA2CA1CA12CA9
SCHEMBL25034010 0.82 ALDH1A1 (0.38) ALDH1A1CA2CA1CA12CA9
SCHEMBL22013598 0.76 KAT2B (0.31)
SCHEMBL20680962 0.76 ALDH1A1 (0.56) ALDH1A1CA2CA1CA12CA9
SCHEMBL30003292 0.74 CA2 (0.54) ALDH1A1CA2CA1CA12CA9
SCHEMBL21962531 0.74 ALDH1A1 (0.46) ALDH1A1CA2CA1CA12CA9
SCHEMBL25034032 0.71 L3MBTL1 (0.36) ALDH1A1CA2CA1LMNAPOLB
SCHEMBL8428532 0.71 ALDH1A1 (0.60) ALDH1A1CA2CA1CA12CA9
SCHEMBL21962202 0.71 PYCR1 (0.42) ALDH1A1LMNA
SCHEMBL22013603 0.70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 1999/4885CA2 1210/4885CA1 3732/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.